Compound Detail
CHEMBL4573807
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Basic Information
| ChEMBL ID | CHEMBL4573807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLQLQDLJJUAEGT-GDBMZVCRSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.35
ALogP
9
HBA
2
HBD
105.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 7.82 | 7.218 | 15.3 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 15.3 | nM | 7.82 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 16.2 | nM | 7.79 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 147.0 | nM | 6.83 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 147.0 | nM | 6.83 | GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 m... | 29969024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29969024 | 10.1021/acs.jmedchem.8b00327 | Glutaminase kidney isoform, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine